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rose bengal(2-)

PropertiesImage
MNX_IDMNXM160888 Image of MNXM160888
referencechebi:52904
formulaC20H2Cl4I4O5
global charge-2
mol weight971.659
InChIKeyVDNLFJGJEQUWRB-UHFFFAOYSA-L
InChIInChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)/p-2
SMILESO=C([O-])C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1C1=C2C=C(I)C(=O)C(I)=C2OC2=C(I)C([O-])=C(I)C=C21
MNX internals
InChI (mnx)InChI=1/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32) Image of MNXM160888
SMILES (mnx)[CH:1]1=[C:3]2[C:7]([C:8]3=[C:9]([C:20](=[O:31])[OH:32])[C:11]([Cl:22])=[C:13]([Cl:24])[C:12]([Cl:23])=[C:10]3[Cl:21])=[C:4]3[CH:2]=[C:6]([I:26])[C:17](=[O:30])[C:15]([I:28])=[C:19]3[O:33][C:18]2=[C:14]([I:27])[C:16]([OH:29])=[C:5]1[I:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:52904
chebi:52904
VDNLFJGJEQUWRB-UHFFFAOYSA-L 		rose bengal(2-)
2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
rose bengal anion
rose bengal dianion
hmdb:HMDB0036613
VDNLFJGJEQUWRB-UHFFFAOYSA-N 		Rose bengal
2',4',5',7'-Tetrabromo-2,3,4,5-tetraiodofluorescein
2,3,4,5-tetrachloro-6-(6-hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)benzoic acid
3,4,5,6-tetrachloro-2',4',5',7'-Tetraiodofluorescein, 8ci
4,5,6,7-tetrachloro-3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 9ci
Ak-rose liq 1%
Bengal, rose
C.I. 45440
C.I. solvent red 141
Rose bengal sodium I 125
Rose bengal sodium I 131
rose bengal

CHEBI:87202
chebi:87202
VDNLFJGJEQUWRB-UHFFFAOYSA-N 		rose bengal free acid
2',4',5',7'-tetrabromo-2,3,4,5-tetraiodofluorescein

hmdb:HMDB36613 		secondary/obsolete/fantasy identifier